CID 3020332

85098-70-0

Structural Information

Molecular Formula
C14H22N2O
SMILES
COC1=CC=C(C=C1)CCN2CCC(CC2)N
InChI
InChI=1S/C14H22N2O/c1-17-14-4-2-12(3-5-14)6-9-16-10-7-13(15)8-11-16/h2-5,13H,6-11,15H2,1H3
InChIKey
HTGMIBQQTLUEKV-UHFFFAOYSA-N
Compound name
1-[2-(4-methoxyphenyl)ethyl]piperidin-4-amine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

40
Patents

234.17322 Da
Monoisotopic Mass

1.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 235.180496 156.3
[M+Na]+ 257.162438 160.8
[M-H]- 233.165944 160.1
[M+NH4]+ 252.207043 172.0
[M+K]+ 273.136378 157.4
[M+H-H2O]+ 217.170480 147.8
[M+HCOO]- 279.171421 175.6
[M+CH3COO]- 293.187071 194.2
[M+Na-2H]- 255.147886 159.3
[M]+ 234.17267142 152.0
[M]- 234.17376858 152.0
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

literature stripe

Patent stripe

patents stripe